2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine

C16H19N3 — CID 114694487

IUPAC2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
SMILESCc1cc(NCC2=CCNCC2)c2ccccc2n1
InChIInChI=1S/C16H19N3/c1-12-10-16(14-4-2-3-5-15(14)19-12)18-11-13-6-8-17-9-7-13/h2-6,10,17H,7-9,11H2,1H3,(H,18,19)
InChIKeyRSZOMQYFCLRMAH-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.87
Rot. Bonds3

About 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine

2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine (PubChem CID 114694487) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
PubChem CID114694487
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
SMILESCc1cc(NCC2=CCNCC2)c2ccccc2n1
InChIInChI=1S/C16H19N3/c1-12-10-16(14-4-2-3-5-15(14)19-12)18-11-13-6-8-17-9-7-13/h2-6,10,17H,7-9,11H2,1H3,(H,18,19)
InChIKeyRSZOMQYFCLRMAH-UHFFFAOYSA-N
XLogP2.87
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
CID 114694669
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine
CID 61283485
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol
CID 103705273
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 115366049
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
2-methyl-N-(morpholin-3-ylmethyl)quinolin-4-amine
CID 103549152
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine (CID 114694487) is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine is Cc1cc(NCC2=CCNCC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine?
The InChIKey is RSZOMQYFCLRMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-10-16(14-4-2-3-5-15(14)19-12)18-11-13-6-8-17-9-7-13/h2-6,10,17H,7-9,11H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine?
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 114694487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).